| SpectraBase Spectrum ID |
JfknrXySItD |
| Name |
2-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butanenitrile(Autogenerated) |
| Appearance |
Pale-yellow oil |
| Carrier Gas |
Hydrogen (1.2 bar) (30 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO5 |
| GC Column |
Optima-1-MS (30 m x 0.25 mm) |
| GC Oven Program |
Oven temp 320oC |
| InChI |
InChI=1S/C21H25NO5/c1-23-17-9-8-15(12-18(17)24-2)16(13-22)7-6-14-10-19(25-3)21(27-5)20(11-14)26-4/h8-12,16H,6-7H2,1-5H3 |
| InChIKey |
JUDSYGFCJLOFTH-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP 6980 GC-5937N MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.202300050 |
| Molecular Weight |
371.433 g/mol |
| Quality |
24 |
| Reported Formula |
C21H25NO5 |
| SMILES |
C1(=CC(=CC(=C1OC)OC)CCC(C1=CC(=C(C=C1)OC)OC)C#N)OC |
| SPLASH |
splash10-0089-0903000000-36232bba143eb64c27b9 |
| Sample Comments |
rr = 89:11, er = 81:19 |
| Source of Spectrum |
K1-26-SM43-13l (DOI: 10.1002/ejoc.202300050) |
| Thin-Layer Chromatography |
0.24 (cHex/EtOAc, 2:1) |
| Wiley ID |
1910434 |
